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cp2k/data/xTB0_parameters
Juerg Hutter 8e5fe4401f
gfn0-xTB and parallel DFT-D4 (#3765)
2024-11-08 17:48:34 +01:00

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$info
level 0
name GFN0-xTB
doi 10.26434/chemrxiv.8326202.v1
$globpar
ks 2.0000000
kp 2.4868000
kd 2.2700000
kdiff 1.1241000
ens 0.6000000
enp -0.1000000
end -0.2000000
enscale4 4.0000000
ipeashift 1.7806900
srbshift 0.0537000
srbpre -0.0129000
srbexp 3.4847000
srbken 0.5097000
a1 0.8000000
a2 4.6000000
s8 2.8500000
s9 0.0000000
kexp 1.50000
kexplight 1.50000
renscale -0.0900000
$end
$pairpar
$end
$Z= 1 Fri Nov 30 20:58:37 CET 2018
ao=1s2s
lev= -11.9223639 -2.8061095
exp= 1.2209169 2.0165983
EN= 1.9200000
GAM= -0.3023159
KQAT2= 0.2473983
KCNS= 0.7116904
REPA= 2.1885472
REPB= 1.2455414
POLYS= -3.6355142
KQS= 0.2591008
XI= 1.2500000
KAPPA= 0.0248762
ALPG= 0.7490227
$end
$Z= 2 Tue Dec 4 13:01:57 CET 2018
ao=1s2p
lev= -20.9532631 -1.1297785
exp= 1.5824890 1.6000000
GAM= 0.7743046
KQAT2= -0.7787934
KCNS= -2.1046272
KCNP= -3.7377613
REPA= 2.2714498
REPB= 1.3440060
POLYS= -12.4694067
POLYP= 5.1200420
KQS= 0.0526662
KQP= -1.7836600
XI= 1.2912463
KAPPA= 0.1342276
ALPG= 0.4196569
$end
$Z= 3 Mon Dec 3 11:55:06 CET 2018
ao=2s2p
lev= -6.9971696 -3.2655741
exp= 0.5005719 0.4658228
GAM= 0.5303164
KQAT2= -2.0181966
KCNS= -0.0588643
KCNP= 0.1229940
REPA= 0.6634645
REPB= 1.1710492
POLYS= -9.1309270
POLYP= 26.4549941
KQS= 0.9636068
KQP= 0.1933068
XI= 0.8540050
KAPPA= 0.0103048
ALPG= 1.4256190
$end
$Z= 4 Mon Dec 3 15:58:52 CET 2018
ao=2s2p
lev= -9.8114460 -4.1691241
exp= 0.9078603 1.0039670
GAM= 0.2176474
KQAT2= 0.2010595
KCNS= 0.3659056
KCNP= -0.0543602
REPA= 0.9267640
REPB= 2.9064151
POLYS= -23.0556019
POLYP= 12.2940049
KQS= 0.8310555
KQP= 0.8910197
XI= 1.1723939
KAPPA= -0.0352374
ALPG= 2.0698743
$end
$Z= 5 Mon Dec 3 15:49:41 CET 2018
ao=2s2p
lev= -11.5274724 -7.1785553
exp= 1.7660778 1.6244411
GAM= 0.1956176
KQAT2= 0.5604651
KCNS= -3.0472261
KCNP= 0.0556489
REPA= 1.1164621
REPB= 4.4020866
POLYS= -13.0296301
POLYP= -3.8000846
KQS= 3.1865592
KQP= 0.9002623
XI= 1.1094487
KAPPA= -0.0980031
ALPG= 1.7358798
$end
$Z= 6 Fri Nov 30 20:58:37 CET 2018
ao=2s2p
lev= -15.7545853 -9.7975356
exp= 1.9915841 1.7845353
EN= 2.4800000
GAM= 0.0308461
KQAT2= 0.0908886
KCNS= -5.5477603
KCNP= 1.5631408
REPA= 1.2680750
REPB= 4.3101011
POLYS= -12.8096830
POLYP= -8.8232651
KQS= 0.1683176
KQP= 0.2988821
XI= 1.3860275
KAPPA= 0.0643920
ALPG= 1.8288757
$end
$Z= 7 Fri Nov 30 20:58:37 CET 2018
ao=2s2p
lev= -18.8417536 -11.5390772
exp= 2.3225221 2.0626548
EN= 2.9700000
GAM= 0.0559522
KQAT2= -0.0630602
KCNS= -0.2818725
KCNP= 0.6027542
REPA= 1.6211038
REPB= 4.5460146
POLYS= -12.6808155
POLYP= -8.8038076
KQS= 1.6770083
KQP= -0.2856884
XI= 1.5341534
KAPPA= 0.1053273
ALPG= 1.9346081
$end
$Z= 8 Fri Nov 30 20:58:37 CET 2018
ao=2s2p
lev= -17.9332316 -11.8400363
exp= 2.6718248 2.2239915
GAM= 0.0581228
KQAT2= -0.0504985
KCNS= -1.2537900
KCNP= -0.2934837
REPA= 2.1037547
REPB= 4.7850603
POLYS= -16.1325184
POLYP= -5.5108569
KQS= 0.5947188
KQP= 0.0916715
XI= 1.5378836
KAPPA= 0.1394809
ALPG= 1.6974795
$end
$Z= 9 Mon Dec 3 10:20:47 CET 2018
ao=2s2p
lev= -21.1766889 -12.0966829
exp= 2.6161081 2.4319703
EN= 3.5000000
GAM= 0.1574017
KQAT2= 0.0307638
KCNS= 1.1952872
KCNP= -0.2001469
REPA= 2.2062651
REPB= 7.3393960
POLYS= -1.9980582
POLYP= -15.3415612
KQS= 0.8966240
KQP= 0.2645049
XI= 1.5890750
KAPPA= 0.1276675
ALPG= 0.8169179
$end
$Z=10 Tue Dec 4 19:44:42 CET 2018
ao=2s2p3d
lev= -23.8117049 -12.7315278 -2.6152816
exp= 2.9809477 2.0785656 1.8460393
EN= 3.5000000
GAM= 0.6825784
KQAT2= -0.4585161
KCNS= -0.7969349
KCNP= -0.3183102
KCND= -0.2598776
REPA= 1.9166982
REPB= 4.2503997
POLYS= -19.0634182
POLYP= -17.9405285
POLYD= 2.9172938
KQS= 0.1394174
KQP= 0.1181016
KQD= -0.1235510
XI= 1.2893646
KAPPA= -0.1081936
ALPG= 0.6138441
$end
$Z=11 Mon Dec 3 15:13:05 CET 2018
ao=3s3p
lev= -8.0168587 -3.5357541
exp= 0.5467934 0.5633952
GAM= 0.3922376
KQAT2= -1.1795902
KCNS= 0.6047597
KCNP= 0.1676901
REPA= 0.8129781
REPB= 10.5220970
POLYS= -1.9038223
POLYP= 20.5158234
KQS= 1.4578927
KQP= -2.1216651
XI= 0.7891208
KAPPA= -0.0008132
ALPG= 1.7294046
$end
$Z=12 Mon Dec 3 15:03:18 CET 2018
ao=3s3p3d
lev= -8.8996217 -3.3930267 -2.3704000
exp= 1.0300807 0.7916346 0.8488197
GAM= 0.5581866
KQAT2= -0.5383484
KCNS= 0.3066908
KCNP= -0.0315587
KCND= 0.3687894
REPA= 0.8408742
REPB= 7.7916659
POLYS= -23.8821588
POLYP= 6.2198335
POLYD= 16.9907381
KQS= -1.1457069
KQP= 0.6192238
KQD= -1.7052287
XI= 0.9983021
KAPPA= -0.0279860
ALPG= 1.7925036
$end
$Z=13 Mon Dec 3 14:48:51 CET 2018
ao=3s3p3d
lev= -11.4217432 -5.5010511 -3.7796816
exp= 1.2874433 1.0904909 0.8900769
GAM= 0.3017510
KQAT2= -0.2891414
KCNS= -0.7913111
KCNP= 0.3614827
KCND= -0.8703979
REPA= 0.8361156
REPB= 11.3886282
POLYS= -25.9314993
POLYP= 10.0218349
POLYD= 5.7458163
KQS= 1.1373983
KQP= -0.5030043
KQD= -0.2180697
XI= 0.9620847
KAPPA= -0.0521436
ALPG= 1.2156739
$end
$Z=14 Mon Dec 3 14:30:41 CET 2018
ao=3s3p3d
lev= -14.1305658 -8.2750304 -3.1140941
exp= 1.4531665 1.9693476 1.0819287
GAM= 0.1039137
KQAT2= -0.2539732
KCNS= 1.8789681
KCNP= -0.8229514
KCND= -0.3042044
REPA= 0.8859465
REPB= 13.9495563
POLYS= -14.0752116
POLYP= -18.0300640
POLYD= 13.1379417
KQS= -1.6833805
KQP= 0.7676860
KQD= -0.3164855
XI= 1.0441134
KAPPA= -0.0257206
ALPG= 1.5314457
$end
$Z=15 Mon Dec 3 12:53:27 CET 2018
ao=3s3p3d
lev= -15.7071105 -9.8725694 -1.6270802
exp= 1.8253512 1.7857588 1.6661366
GAM= 0.2124917
KQAT2= -0.4636669
KCNS= 0.7048836
KCNP= -0.2076245
KCND= -0.9160855
REPA= 1.0684151
REPB= 16.7912135
POLYS= -22.5131801
POLYP= -15.1342971
POLYD= 31.3131980
KQS= 0.0638088
KQP= -0.0488732
KQD= 0.1144146
XI= 1.4789559
KAPPA= 0.1651461
ALPG= 1.3730859
$end
$Z=16 Mon Dec 3 12:24:23 CET 2018
ao=3s3p3d
lev= -20.1581637 -11.1864809 -0.8356505
exp= 1.8928587 1.9498486 1.6934107
GAM= 0.0580720
KQAT2= 0.0175812
KCNS= -0.1240442
KCNP= -0.0611739
KCND= -0.0694984
REPA= 1.1882871
REPB= 13.3874290
POLYS= -27.9640046
POLYP= -12.6286929
POLYD= 25.8298106
KQS= -0.3628979
KQP= -0.1162502
KQD= 0.5229391
XI= 1.3926377
KAPPA= 0.0914418
ALPG= 1.7936326
$end
$Z=17 Di 5. Mär 21:25:35 CET 2019
ao=3s3p3d
lev= -26.2723861 -12.3657994 -1.9017158
exp= 2.4427851 2.0467885 2.2975192
GAM= 0.2537467
KQAT2= -0.4977269
KCNS= 1.1846012
KCNP= -0.0422548
KCND= -1.0808918
REPA= 1.4429448
REPB= 13.9700526
POLYS= -25.6075631
POLYP= -14.2698415
POLYD= 37.2632140
KQS= -0.1771804
KQP= 0.3541391
KQD= 0.1082906
XI= 1.4749100
KAPPA= 0.1213634
ALPG= 2.4255996
$end
$Z=18 Tue Dec 4 20:03:15 CET 2018
ao=3s3p3d
lev= -22.0270820 -14.3127631 -2.9389433
exp= 2.4411522 2.0047267 1.9691892
GAM= 0.5780354
KQAT2= -1.8034383
KCNS= -0.8330348
KCNP= 0.1406891
KCND= -0.2103496
REPA= 1.1993811
REPB= 14.4971987
POLYS= -26.8745198
POLYP= -16.3714740
POLYD= 21.6207312
KQS= 0.0581999
KQP= 0.1172583
KQD= 0.2579057
XI= 1.2250415
KAPPA= -0.0636298
ALPG= 1.5891656
$end
$Z=19 Sun Dec 9 18:48:46 CET 2018
ao=4s4p
lev= -6.6921296 -3.1081605
exp= 0.7780770 0.7000000
EN= 1.4500000
GAM= 0.3920658
KQAT2= -0.2695403
KCNS= 0.0431781
KCNP= 0.2249671
REPA= 0.5700050
REPB= 13.8061512
POLYS= 1.7106901
POLYP= 24.4323336
KQS= 1.4171788
KQP= 0.6090963
XI= 0.8162292
KAPPA= -0.0045838
ALPG= 2.1829647
$end
$Z=20 Tue Dec 11 08:52:05 CET 2018
ao=4s4p3d
lev= -8.0531971 -2.1761231 -0.2675983
exp= 1.1200000 0.7483882 1.5500000
EN= 1.8000000
GAM= -0.0024897
KQAT2= 0.2084025
KCNS= 0.9861689
KCNP= 0.8916793
KCND= 0.3360490
REPA= 0.8345430
REPB= 13.9719788
POLYS= -21.2288327
POLYP= -3.2398787
POLYD= 13.9882752
KQS= -1.3567908
KQP= 0.7982482
KQD= -2.4352495
XI= 1.1252036
KAPPA= 0.0007509
ALPG= 1.4177623
$end
$Z=21 Sat Dec 8 21:57:50 CET 2018
ao=3d4s4p
lev= -8.7129730 -9.0228950 -2.3954879
exp= 1.6075504 1.0933429 1.0700000
EN= 1.7300000
GAM= -0.0061520
KQAT2= -0.6961569
KCNS= -0.4244589
KCNP= -0.1039491
KCND= 1.1290272
REPA= 0.6840185
REPB= 10.9127447
POLYS= 5.3449585
POLYP= 25.3716352
POLYD= -31.0302574
KQS= -1.2515726
KQP= -0.2288979
KQD= -0.1126341
XI= 0.9641451
KAPPA= -0.0307730
ALPG= 1.5181399
$end
$Z=22 Thu Dec 6 05:27:29 CET 2018
ao=3d4s4p
lev= -8.5703364 -9.4933734 -2.2959946
exp= 1.5158150 1.2148492 1.0965783
GAM= 0.1663252
KQAT2= -0.0444615
KCNS= -2.6131513
KCNP= -0.9668192
KCND= 1.7000000
REPA= 0.7915733
REPB= 13.4067871
POLYS= 21.1807596
POLYP= 24.9345278
POLYD= -26.2283413
KQS= -2.6329946
KQP= -0.5589503
KQD= -0.6584541
XI= 0.8810155
KAPPA= -0.0286150
ALPG= 1.9919805
$end
$Z=23 Thu Dec 6 21:49:41 CET 2018
ao=3d4s4p
lev= -8.7570928 -9.8674899 -1.2850031
exp= 1.7421878 1.1888016 0.8934693
GAM= 0.1051751
KQAT2= -0.1157893
KCNS= -0.3811876
KCNP= -0.3240250
KCND= 0.2890820
REPA= 1.0676223
REPB= 16.7322903
POLYS= 7.0558197
POLYP= 26.9000610
POLYD= -31.3799774
KQS= -2.8582869
KQP= -0.9497022
KQD= -0.1743943
XI= 0.9741986
KAPPA= -0.0341465
ALPG= 1.7171675
$end
$Z=24 Thu Dec 6 21:17:07 CET 2018
ao=3d4s4p
lev= -8.8203392 -7.1020286 -1.3383282
exp= 1.8634588 1.4228855 1.4932821
GAM= 0.0009900
KQAT2= -0.1506473
KCNS= -4.8366149
KCNP= -0.0547793
KCND= 0.0727051
REPA= 0.9216746
REPB= 21.8192969
POLYS= 2.0452996
POLYP= 27.0253735
POLYD= -15.1553980
KQS= -0.6557652
KQP= -1.1133287
KQD= 0.5864026
XI= 1.1029038
KAPPA= -0.0419655
ALPG= 2.0655063
$end
$Z=25 Thu Dec 6 20:46:17 CET 2018
ao=3d4s4p
lev= -9.5757701 -6.0802192 -3.7852117
exp= 1.7327124 1.4062701 1.2782309
GAM= 0.0976543
KQAT2= -0.0193450
KCNS= -1.5528487
KCNP= -0.0750273
KCND= 0.1000000
REPA= 1.1151815
REPB= 22.8754319
POLYS= -2.9359221
POLYP= 29.3785517
POLYD= -27.4411979
KQS= -2.1012472
KQP= 0.0931727
KQD= -0.2296589
XI= 1.0076949
KAPPA= -0.0088536
ALPG= 1.3318009
$end
$Z=26 Thu Dec 6 20:23:04 CET 2018
ao=3d4s4p
lev= -10.1463332 -5.5418598 -3.7951519
exp= 1.9253779 0.9262150 1.2346615
GAM= 0.0612028
KQAT2= 0.1358351
KCNS= -3.0453727
KCNP= -0.6034576
KCND= 0.7000000
REPA= 1.1883881
REPB= 25.2196212
POLYS= 6.2785647
POLYP= 28.4073754
POLYD= -25.0617776
KQS= -2.1531278
KQP= -1.3014729
KQD= -0.2054193
XI= 0.7744353
KAPPA= -0.1001069
ALPG= 1.3660068
$end
$Z=27 Thu Dec 6 19:43:13 CET 2018
ao=3d4s4p
lev= -10.5325577 -4.9644527 -2.6210546
exp= 2.1305990 1.9253832 1.3966367
GAM= 0.0561526
KQAT2= -0.0258463
KCNS= -0.8636611
KCNP= 0.5404216
KCND= 1.0000000
REPA= 1.1895339
REPB= 26.9753662
POLYS= 2.7815688
POLYP= 22.8556886
POLYD= -22.1545572
KQS= -1.6422305
KQP= -0.2413613
KQD= 0.1032325
XI= 0.7554040
KAPPA= -0.1190502
ALPG= 1.5694128
$end
$Z=28 Thu Dec 6 07:33:30 CET 2018
ao=3d4s4p
lev= -10.5903637 -6.6362657 -2.3476564
exp= 2.3227981 1.5682330 1.5655420
GAM= 0.0899774
KQAT2= -0.1389803
KCNS= 1.7130286
KCNP= -0.8594284
KCND= 0.2045707
REPA= 1.2692713
REPB= 27.2652026
POLYS= -6.3873757
POLYP= 18.5067943
POLYD= -20.6965198
KQS= 0.0892590
KQP= 0.6269495
KQD= -0.0372394
XI= 1.0182630
KAPPA= -0.0726233
ALPG= 1.2762644
$end
$Z=29 Thu Dec 6 07:55:48 CET 2018
ao=3d4s4p
lev= -11.3598265 -8.4558686 -3.0589423
exp= 2.3709891 1.8409795 1.7423898
GAM= 0.1313171
KQAT2= 0.1832504
KCNS= 0.2336012
KCNP= -0.3151736
KCND= 0.1150023
REPA= 1.1734165
REPB= 26.2195102
POLYS= -9.3513228
POLYP= 8.0361280
POLYD= -25.4274699
KQS= 0.0790442
KQP= 0.0667641
KQD= -0.2727800
XI= 1.0316167
KAPPA= -0.0219233
ALPG= 1.0039549
$end
$Z=30 Di 11. Dez 12:50:34 CET 2018
ao=4s4p
lev= -11.0505242 -2.7759459
exp= 1.4465300 1.2040440
GAM= 0.5728071
KQAT2= 0.2795320
KCNS= 0.4980615
KCNP= 0.5813466
REPA= 1.0018764
REPB= 14.3840374
POLYS= -20.5283728
POLYP= 18.3163734
KQS= 0.5947695
KQP= -0.3462432
XI= 1.6317474
KAPPA= 0.0641913
ALPG= 0.7338863
$end
$Z=31 Do 6. Dez 20:57:16 CET 2018
ao=4s4p4d
lev= -11.2255436 -4.6379660 -0.5568933
exp= 1.5059368 1.3063387 1.0909195
GAM= 0.1741615
KQAT2= -0.2653902
KCNS= 0.5567111
KCNP= 0.5748990
KCND= -0.2131931
REPA= 1.1597304
REPB= 25.4102208
POLYS= -25.9659007
POLYP= 0.2493204
POLYD= 31.9811359
KQS= 0.8467361
KQP= -0.2584210
KQD= -0.5108585
XI= 1.1186739
KAPPA= -0.0103130
ALPG= 3.2596250
$end
$Z=32 Fr 7. Dez 03:03:42 CET 2018
ao=4s4p4d
lev= -15.5640015 -9.1779578 -1.1917480
exp= 1.8047369 1.7982376 1.0955633
GAM= 0.2671888
KQAT2= -0.3850791
KCNS= 1.8775492
KCNP= -1.1667497
KCND= -0.1468127
REPA= 1.1708353
REPB= 43.7565690
POLYS= -22.5969796
POLYP= -13.0777911
POLYD= 29.8243400
KQS= 0.2348166
KQP= -0.2410370
KQD= -0.2772269
XI= 1.0345958
KAPPA= 0.0262628
ALPG= 1.7530299
$end
$Z=33 Fr 7. Dez 15:08:32 CET 2018
ao=4s4p4d
lev= -16.8021037 -10.2020806 -0.1526587
exp= 2.0023112 1.9021607 1.3993110
GAM= 0.2351989
KQAT2= -0.4048451
KCNS= 0.3228237
KCNP= -0.6260172
KCND= 0.1759185
REPA= 1.2085038
REPB= 34.9344472
POLYS= -27.5975320
POLYP= -20.1579127
POLYD= 33.9750529
KQS= 1.1862714
KQP= 1.3281349
KQD= 0.6150681
XI= 1.3090772
KAPPA= 0.0222202
ALPG= 1.5281792
$end
$Z=34 Mi 5. Dez 15:03:51 CET 2018
ao=4s4p4d
lev= -20.6883851 -11.3475165 -0.0925094
exp= 2.2563431 2.1483129 1.8766631
GAM= 0.0718104
KQAT2= -0.0331375
KCNS= -0.0314322
KCNP= -0.4075826
KCND= 0.6444935
REPA= 1.1161800
REPB= 22.8724870
POLYS= -24.4009201
POLYP= -18.4932335
POLYD= 31.6569329
KQS= 0.1524644
KQP= 0.6961378
KQD= -1.0725308
XI= 1.4119283
KAPPA= 0.0709954
ALPG= 2.1837813
$end
$Z=35 Mon Dec 3 11:01:18 CET 2018
ao=4s4p4d
lev= -19.8975374 -11.6316818 -1.1601961
exp= 2.5042181 2.1106542 1.9511992
GAM= 0.3458143
KQAT2= -0.3771185
KCNS= -0.3614742
KCNP= 0.3742490
KCND= -0.6477093
REPA= 1.3193094
REPB= 34.2378269
POLYS= -22.8480620
POLYP= -20.4623921
POLYD= 32.3160404
KQS= -0.0337658
KQP= 0.3715817
KQD= -0.6430662
XI= 1.4500674
KAPPA= 0.0422244
ALPG= 2.1642027
$end
$Z=36 Tue Dec 4 20:22:49 CET 2018
ao=4s4p4d
lev= -17.7445664 -13.3156057 -1.3999865
exp= 2.7659636 2.1692369 1.8254810
GAM= 0.8203265
KQAT2= -0.1964130
KCNS= -0.3657585
KCNP= -0.0288971
KCND= 0.0662612
REPA= 0.7670615
REPB= 15.1027639
POLYS= -29.6544708
POLYP= -11.8101528
POLYD= 26.3649672
KQS= -0.0658049
KQP= 0.0634599
KQD= 1.3725483
XI= 1.1746889
KAPPA= -0.0308245
ALPG= 2.7280594
$end
$Z=37 Mon Dec 10 20:39:11 CET 2018
ao=5s5p
lev= -6.6590644 -3.2967564
exp= 0.6993851 0.8209591
EN= 1.5000000
GAM= 0.4287770
KQAT2= 1.5782426
KCNS= 0.2927284
KCNP= 0.4327208
REPA= 0.6171015
REPB= 39.1086736
POLYS= -3.9550260
POLYP= 17.8102922
KQS= -2.1110486
KQP= -1.3455843
XI= 0.6686200
KAPPA= 0.0086249
ALPG= 0.7838049
$end
$Z=38 Tue Dec 11 08:12:25 CET 2018
ao=5s5p4d
lev= -6.3552773 -1.6881756 -0.1094950
exp= 1.1429377 0.8089888 1.5500000
EN= 1.5000000
GAM= 0.2667067
KQAT2= 0.1783732
KCNS= 0.8783924
KCNP= 0.5717898
KCND= 0.3126696
REPA= 0.8421909
REPB= 32.7340796
POLYS= -20.4705547
POLYP= -5.6623775
POLYD= 1.1533441
KQS= -0.7184537
KQP= 0.0777799
KQD= -0.8135551
XI= 1.0744648
KAPPA= -0.0237146
ALPG= 1.4274742
$end
$Z=39 Sat Dec 15 16:06:54 CET 2018
ao=4d5s5p
lev= -7.3282377 -10.5232537 -1.2841045
exp= 1.7000000 1.2510491 1.0686497
EN= 1.5500000
GAM= 0.0873658
KQAT2= -0.5462958
KCNS= 0.8433168
KCNP= -0.0730286
KCND= 0.3976138
REPA= 0.6513468
REPB= 18.6398784
POLYS= -14.8904419
POLYP= 32.7512297
POLYD= -24.8248233
KQS= 1.1237295
KQP= -0.9370621
KQD= 0.1974924
XI= 0.9107813
KAPPA= -0.0721798
ALPG= 1.8023947
$end
$Z=40 Fri Dec 14 20:06:11 CET 2018
ao=4d5s5p
lev= -8.3528075 -9.4151949 -1.9905675
exp= 1.7925035 1.5123924 1.1495969
GAM= 0.0599431
KQAT2= -0.1563616
KCNS= 1.0938012
KCNP= -0.6167863
KCND= 0.1437786
REPA= 0.6906528
REPB= 22.6163764
POLYS= -1.2323670
POLYP= 31.3521888
POLYD= -25.4108005
KQS= -3.1290732
KQP= -0.6950275
KQD= 0.2953364
XI= 0.7876056
KAPPA= -0.0848810
ALPG= 1.6093288
$end
$Z=41 Thu Dec 13 21:04:05 CET 2018
ao=4d5s5p
lev= -8.9909092 -9.3825305 -1.0846865
exp= 1.7107755 1.3747235 0.7765805
GAM= 0.1581972
KQAT2= 0.2100641
KCNS= 1.5858874
KCNP= -0.2495775
KCND= -0.7270306
REPA= 0.8705783
REPB= 27.6545601
POLYS= -20.1589551
POLYP= 23.9125590
POLYD= -28.9368791
KQS= -1.5564962
KQP= -0.4070963
KQD= -0.0034815
XI= 1.0039889
KAPPA= -0.0402828
ALPG= 1.3834349
$end
$Z=42 Thu Dec 13 15:49:52 CET 2018
ao=4d5s5p
lev= -8.3391136 -5.0423265 -3.3157522
exp= 1.7502703 1.5772858 1.4297760
GAM= 0.1716374
KQAT2= 0.5064106
KCNS= 0.1240865
KCNP= -0.6514497
KCND= 0.8912258
REPA= 0.9711021
REPB= 37.8625561
POLYS= 10.4647630
POLYP= 25.7071394
POLYD= -27.1881494
KQS= -0.5021863
KQP= -2.0445824
KQD= 0.4028728
XI= 0.9225265
KAPPA= -0.0372396
ALPG= 1.1740977
$end
$Z=43 Thu Dec 13 08:51:13 CET 2018
ao=4d5s5p
lev= -9.5934551 -4.1238201 -2.8210863
exp= 1.9777411 2.0982690 1.4810776
GAM= 0.2721649
KQAT2= 0.0670438
KCNS= -0.0695215
KCNP= -0.2651591
KCND= 0.0906910
REPA= 1.0252504
REPB= 40.9844265
POLYS= 17.2824035
POLYP= 26.9750840
POLYD= -27.0119119
KQS= -3.2915311
KQP= -1.3215133
KQD= -0.0229317
XI= 0.9035515
KAPPA= -0.0027043
ALPG= 1.5768259
$end
$Z=44 Thu Dec 13 05:23:42 CET 2018
ao=4d5s5p
lev= -10.4178466 -4.6661993 -4.3910247
exp= 2.0243462 2.3480304 1.6149520
GAM= 0.2817608
KQAT2= 0.2937971
KCNS= 0.3318922
KCNP= -0.2027599
KCND= 0.1037674
REPA= 0.9847071
REPB= 30.0686254
POLYS= 6.3119382
POLYP= 27.7664661
POLYD= -26.3813902
KQS= -1.9247370
KQP= -3.0950796
KQD= 0.0242021
XI= 1.0332301
KAPPA= 0.0525839
ALPG= 1.3205263
$end
$Z=45 Tue Dec 11 17:13:20 CET 2018
ao=4d5s5p
lev= -11.2407436 -6.3230998 -2.7898020
exp= 2.3713759 2.1418555 1.5716934
GAM= 0.1391572
KQAT2= 0.0788835
KCNS= 0.0444124
KCNP= -0.2052962
KCND= 0.1091464
REPA= 1.0559061
REPB= 35.5737255
POLYS= 1.1913117
POLYP= 25.1398088
POLYD= -19.0998367
KQS= -1.6523781
KQP= -0.2966759
KQD= -0.2394570
XI= 1.0293975
KAPPA= 0.0051192
ALPG= 1.4259466
$end
$Z=46 Mon Dec 3 20:24:37 CET 2018
ao=4d5s5p
lev= -11.0477513 -7.5245955 -1.3458846
exp= 2.3655400 2.0465727 1.7370737
GAM= 0.1175925
KQAT2= 0.4874039
KCNS= -0.6534170
KCNP= 0.0773043
KCND= 0.1035578
REPA= 1.0645317
REPB= 28.4443233
POLYS= 7.5528381
POLYP= 31.6028255
POLYD= -24.7810390
KQS= -2.2410456
KQP= -1.0409758
KQD= -0.5186905
XI= 1.0549549
KAPPA= 0.0188401
ALPG= 1.1499748
$end
$Z=47 Fri Dec 7 18:03:16 CET 2018
ao=4d5s5p
lev= -10.7029327 -9.0008211 -3.1175174
exp= 3.1103872 1.7772461 1.2958832
GAM= 0.2316104
KQAT2= -0.4078822
KCNS= -0.2041670
KCNP= -0.4941126
KCND= 0.0507145
REPA= 0.9139636
REPB= 25.9740558
POLYS= -7.4614740
POLYP= 11.9171585
POLYD= -24.0147360
KQS= -2.6933989
KQP= 1.6377067
KQD= 0.4579394
XI= 1.2356867
KAPPA= 0.0103998
ALPG= 0.7013009
$end
$Z=48 Mi 5. Dez 14:10:23 CET 2018
ao=5s5p
lev= -12.0082253 -2.6607618
exp= 1.7646331 1.3127608
GAM= 0.2256303
KQAT2= 0.2261002
KCNS= 1.0104763
KCNP= -1.0742210
REPA= 0.9095541
REPB= 28.8257081
POLYS= -21.1131335
POLYP= 24.2291269
KQS= 0.6273704
KQP= -0.1339630
XI= 1.2793315
KAPPA= 0.0000549
ALPG= 1.2374416
$end
$Z=49 Di 11. Dez 22:15:31 CET 2018
ao=5s5p5d
lev= -12.8089312 -4.9517162 -0.6628616
exp= 1.7863485 1.4997607 1.1650646
GAM= 0.1230459
KQAT2= -0.4403034
KCNS= 0.4647355
KCNP= -0.0995082
KCND= -0.2852205
REPA= 0.9965441
REPB= 53.9657064
POLYS= -28.0671409
POLYP= -2.1607305
POLYD= 30.6807055
KQS= 0.6476509
KQP= -0.3983757
KQD= -0.5489296
XI= 1.1145650
KAPPA= 0.0087717
ALPG= 1.3799991
$end
$Z=50 Di 11. Dez 18:35:10 CET 2018
ao=5s5p5d
lev= -20.5912595 -8.8280995 -2.6074284
exp= 2.2482408 1.8768725 1.1662079
GAM= 0.0141941
KQAT2= -0.2304807
KCNS= 1.6446031
KCNP= -1.0004245
KCND= -0.8549641
REPA= 1.0676257
REPB= 88.0203443
POLYS= -21.2192117
POLYP= -7.2356588
POLYD= 12.8333865
KQS= 0.3428358
KQP= -0.0107237
KQD= -0.0368582
XI= 1.1214927
KAPPA= -0.0237228
ALPG= 1.8528424
$end
$Z=51 Di 11. Dez 15:25:09 CET 2018
ao=5s5p5d
lev= -19.1309518 -9.2461857 0.3120269
exp= 2.5053498 1.9880208 1.7329511
GAM= 0.0188612
KQAT2= -0.3614513
KCNS= -0.5778929
KCNP= 0.7863872
KCND= -0.0005389
REPA= 1.0759855
REPB= 82.7978295
POLYS= -25.9808690
POLYP= -16.8015404
POLYD= 34.5734795
KQS= 0.2761934
KQP= 0.3213207
KQD= 0.8605258
XI= 1.2123167
KAPPA= 0.0169656
ALPG= 1.8497568
$end
$Z=52 Mo 10. Dez 22:20:37 CET 2018
ao=5s5p5d
lev= -18.8494281 -11.4037354 -0.5155777
exp= 2.5955339 2.1294865 1.8137622
GAM= 0.0230207
KQAT2= -0.0339759
KCNS= 1.2681267
KCNP= -0.4141598
KCND= 0.3085079
REPA= 0.8659486
REPB= 39.3120212
POLYS= -21.3500803
POLYP= -20.8344096
POLYD= 36.7357631
KQS= -0.6640266
KQP= 0.6301827
KQD= -1.2044909
XI= 1.4003158
KAPPA= 0.0924186
ALPG= 2.0159294
$end
$Z=53 Mon Dec 3 11:30:27 CET 2018
ao=5s5p5d
lev= -17.9130306 -11.6266388 -1.4119025
exp= 2.1518600 2.1826296 1.7939636
GAM= 0.3644113
KQAT2= -0.1031505
KCNS= -0.7187128
KCNP= 0.4073371
KCND= -0.3576737
REPA= 0.9301733
REPB= 49.7072042
POLYS= -27.3671183
POLYP= -19.6222114
POLYD= 33.1425727
KQS= 0.1264617
KQP= 0.1662148
KQD= 0.0032647
XI= 1.4255511
KAPPA= 0.0352884
ALPG= 1.2903708
$end
$Z=54 Tue Dec 4 20:43:11 CET 2018
ao=5s5p5d
lev= -15.8963959 -12.6153098 -0.9187936
exp= 3.1987630 2.2995227 1.7893151
GAM= 0.1668461
KQAT2= -0.1821550
KCNS= -0.1384278
KCNP= 0.0156952
KCND= -0.0051988
REPA= 0.8139884
REPB= 45.1199137
POLYS= -29.8202170
POLYP= -16.6117503
POLYD= 21.1953313
KQS= -0.1330582
KQP= 0.0494917
KQD= 2.8529059
XI= 1.1640198
KAPPA= -0.0091444
ALPG= 2.0199161
$end
$Z=55 Tue Dec 11 10:12:06 CET 2018
ao=6s6p
lev= -6.2935338 -3.2602182
exp= 0.7514304 0.6791606
EN= 1.5000000
GAM= 0.5167533
KQAT2= 0.9414952
KCNS= 0.1307258
KCNP= 0.0901257
REPA= 0.5842740
REPB= 55.2536842
POLYS= -12.1334296
POLYP= 18.8696470
KQS= -0.9632540
KQP= -0.3851189
XI= 0.4685133
KAPPA= 0.0192916
ALPG= 0.9530522
$end
$Z=56 Tue Dec 11 08:30:40 CET 2018
ao=6s6p5d
lev= -5.6796095 -2.5183292 -0.8391169
exp= 1.2995061 0.7121741 1.6000000
EN= 1.6000000
GAM= 0.1979578
KQAT2= 0.7618755
KCNS= 0.5149152
KCNP= 0.4850276
KCND= 0.2866773
REPA= 0.8070627
REPB= 50.0381164
POLYS= -22.8455123
POLYP= -9.9836860
POLYD= 3.4483973
KQS= -0.9508608
KQP= -0.3461083
KQD= -1.0044558
XI= 1.0687873
KAPPA= -0.0154483
ALPG= 1.5015025
$end
$Z=57 Mo 17. Dez 14:03:57 CET 2018
ao=5d6s6p
lev= -8.1422087 -11.6440990 -0.8239123
exp= 1.9000000 1.4262742 1.3072774
EN= 1.5000000
GAM= 0.0345176
KQAT2= -0.7252284
KCNS= 0.6268874
KCNP= -0.0242200
KCND= 0.2955699
REPA= 0.6961124
REPB= 48.0939804
POLYS= -15.6183059
POLYP= 33.4790937
POLYD= -25.5526873
KQS= 0.8353349
KQP= -0.6965739
KQD= 0.1247060
XI= 0.9335398
KAPPA= -0.0736833
ALPG= 2.1917012
$end
$Z=58 Sat Dec 22 14:19:41 CET 2018
ao=5d6s6p
lev= -8.2709324 -11.3009295 -3.2425383
exp= 1.8651798 1.5610733 1.2837815
EN= 1.5000000
GAM= 0.0240233
KQAT2= -0.8403891
KCNS= 0.7756608
KCNP= -0.0004407
KCND= 0.6487575
REPA= 0.7599095
REPB= 46.1827790
POLYS= -15.6451743
POLYP= 25.9295566
POLYD= -31.4845028
KQS= 0.2963503
KQP= -0.5819361
KQD= 0.2692711
XI= 1.0573550
KAPPA= -0.0064191
ALPG= 1.9134370
$end
$Z=59 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.3037702 -11.1705313 -3.1342334
exp= 1.8755508 1.5679201 1.2726347
EN= 1.5000000
GAM= 0.0246333
KQAT2= -0.8014986
KCNS= 0.7945053
KCNP= -0.0004327
KCND= 0.6284641
REPA= 0.7667071
REPB= 46.0844595
POLYS= -15.6344636
POLYP= 26.1418329
POLYD= -31.4071167
KQS= 0.3049667
KQP= -0.5242933
KQD= 0.2546408
XI= 1.0532043
KAPPA= -0.0093012
ALPG= 1.9897910
$end
$Z=60 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.3366080 -11.0401330 -3.0259285
exp= 1.8859217 1.5747669 1.2614880
EN= 1.5000000
GAM= 0.0252433
KQAT2= -0.7626081
KCNS= 0.8133498
KCNP= -0.0004248
KCND= 0.6081707
REPA= 0.7735047
REPB= 45.9861400
POLYS= -15.6237528
POLYP= 26.3541092
POLYD= -31.3297306
KQS= 0.3135831
KQP= -0.4666506
KQD= 0.2400105
XI= 1.0490537
KAPPA= -0.0121833
ALPG= 2.0661450
$end
$Z=61 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.3694458 -10.9097347 -2.9176236
exp= 1.8962926 1.5816137 1.2503412
EN= 1.5000000
GAM= 0.0258532
KQAT2= -0.7237176
KCNS= 0.8321944
KCNP= -0.0004169
KCND= 0.5878773
REPA= 0.7803023
REPB= 45.8878205
POLYS= -15.6130421
POLYP= 26.5663856
POLYD= -31.2523445
KQS= 0.3221996
KQP= -0.4090079
KQD= 0.2253803
XI= 1.0449031
KAPPA= -0.0150654
ALPG= 2.1424991
$end
$Z=62 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.4022836 -10.7793365 -2.8093186
exp= 1.9066636 1.5884605 1.2391944
EN= 1.5000000
GAM= 0.0264632
KQAT2= -0.6848271
KCNS= 0.8510389
KCNP= -0.0004089
KCND= 0.5675839
REPA= 0.7870999
REPB= 45.7895010
POLYS= -15.6023314
POLYP= 26.7786619
POLYD= -31.1749584
KQS= 0.3308160
KQP= -0.3513652
KQD= 0.2107500
XI= 1.0407524
KAPPA= -0.0179475
ALPG= 2.2188531
$end
$Z=63 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.4351215 -10.6489382 -2.7010137
exp= 1.9170345 1.5953073 1.2280476
EN= 1.5000000
GAM= 0.0270732
KQAT2= -0.6459366
KCNS= 0.8698834
KCNP= -0.0004010
KCND= 0.5472904
REPA= 0.7938975
REPB= 45.6911815
POLYS= -15.5916207
POLYP= 26.9909382
POLYD= -31.0975723
KQS= 0.3394324
KQP= -0.2937224
KQD= 0.1961197
XI= 1.0366018
KAPPA= -0.0208296
ALPG= 2.2952071
$end
$Z=64 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.4679593 -10.5185399 -2.5927088
exp= 1.9274054 1.6021541 1.2169008
EN= 1.5000000
GAM= 0.0276832
KQAT2= -0.6070461
KCNS= 0.8887279
KCNP= -0.0003930
KCND= 0.5269970
REPA= 0.8006951
REPB= 45.5928620
POLYS= -15.5809100
POLYP= 27.2032146
POLYD= -31.0201862
KQS= 0.3480488
KQP= -0.2360797
KQD= 0.1814894
XI= 1.0324512
KAPPA= -0.0237117
ALPG= 2.3715611
$end
$Z=65 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.5007971 -10.3881417 -2.4844039
exp= 1.9377764 1.6090009 1.2057541
EN= 1.5000000
GAM= 0.0282931
KQAT2= -0.5681557
KCNS= 0.9075725
KCNP= -0.0003851
KCND= 0.5067036
REPA= 0.8074927
REPB= 45.4945424
POLYS= -15.5701992
POLYP= 27.4154909
POLYD= -30.9428001
KQS= 0.3566653
KQP= -0.1784370
KQD= 0.1668591
XI= 1.0283005
KAPPA= -0.0265938
ALPG= 2.4479151
$end
$Z=66 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.5336349 -10.2577434 -2.3760990
exp= 1.9481473 1.6158477 1.1946073
EN= 1.5000000
GAM= 0.0289031
KQAT2= -0.5292652
KCNS= 0.9264170
KCNP= -0.0003772
KCND= 0.4864102
REPA= 0.8142903
REPB= 45.3962229
POLYS= -15.5594885
POLYP= 27.6277672
POLYD= -30.8654140
KQS= 0.3652817
KQP= -0.1207942
KQD= 0.1522288
XI= 1.0241499
KAPPA= -0.0294759
ALPG= 2.5242691
$end
$Z=67 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.5664727 -10.1273451 -2.2677941
exp= 1.9585183 1.6226945 1.1834605
EN= 1.5000000
GAM= 0.0295131
KQAT2= -0.4903747
KCNS= 0.9452615
KCNP= -0.0003692
KCND= 0.4661168
REPA= 0.8210879
REPB= 45.2979034
POLYS= -15.5487778
POLYP= 27.8400436
POLYD= -30.7880279
KQS= 0.3738981
KQP= -0.0631515
KQD= 0.1375985
XI= 1.0199992
KAPPA= -0.0323580
ALPG= 2.6006231
$end
$Z=68 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.5993105 -9.9969469 -2.1594891
exp= 1.9688892 1.6295413 1.1723137
EN= 1.5000000
GAM= 0.0301230
KQAT2= -0.4514842
KCNS= 0.9641060
KCNP= -0.0003613
KCND= 0.4458234
REPA= 0.8278855
REPB= 45.1995839
POLYS= -15.5380671
POLYP= 28.0523199
POLYD= -30.7106418
KQS= 0.3825146
KQP= -0.0055088
KQD= 0.1229683
XI= 1.0158486
KAPPA= -0.0352400
ALPG= 2.6769771
$end
$Z=69 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.6321483 -9.8665486 -2.0511842
exp= 1.9792601 1.6363881 1.1611670
EN= 1.5000000
GAM= 0.0307330
KQAT2= -0.4125937
KCNS= 0.9829505
KCNP= -0.0003534
KCND= 0.4255300
REPA= 0.8346831
REPB= 45.1012644
POLYS= -15.5273563
POLYP= 28.2645962
POLYD= -30.6332557
KQS= 0.3911310
KQP= 0.0521340
KQD= 0.1083380
XI= 1.0116980
KAPPA= -0.0381221
ALPG= 2.7533312
$end
$Z=70 Mon Aug 1 19:25:34 CEST 2016
ao=5d6s6p
lev= -8.6649861 -9.7361503 -1.9428793
exp= 1.9896311 1.6432350 1.1500202
EN= 1.5000000
GAM= 0.0313430
KQAT2= -0.3737032
KCNS= 1.0017951
KCNP= -0.0003454
KCND= 0.4052365
REPA= 0.8414808
REPB= 45.0029449
POLYS= -15.5166456
POLYP= 28.4768726
POLYD= -30.5558696
KQS= 0.3997474
KQP= 0.1097767
KQD= 0.0937077
XI= 1.0075473
KAPPA= -0.0410042
ALPG= 2.8296852
$end
$Z=71 Sat Dec 22 14:19:41 CET 2018
ao=5d6s6p
lev= -8.6978239 -9.6057521 -1.8345744
exp= 2.0000020 1.6500818 1.1388734
EN= 1.5000000
GAM= 0.0319529
KQAT2= -0.3348127
KCNS= 1.0206396
KCNP= -0.0003375
KCND= 0.3849431
REPA= 0.8482784
REPB= 44.9046254
POLYS= -15.5059349
POLYP= 28.6891489
POLYD= -30.4784835
KQS= 0.4083638
KQP= 0.1674194
KQD= 0.0790774
XI= 1.0033967
KAPPA= -0.0438863
ALPG= 2.9060392
$end
$Z=72 Sat Dec 15 00:03:01 CET 2018
ao=5d6s6p
lev= -8.3270480 -9.2677188 -0.9691591
exp= 2.0923623 1.6165437 1.2872624
GAM= 0.0262881
KQAT2= -0.1572535
KCNS= 1.4365678
KCNP= -0.1607540
KCND= 0.2182218
REPA= 0.8803684
REPB= 41.1538255
POLYS= -3.9147090
POLYP= 32.6961810
POLYD= -32.9129200
KQS= 0.2914598
KQP= 0.2000813
KQD= 0.1081073
XI= 0.8612827
KAPPA= -0.0894776
ALPG= 1.6423047
$end
$Z=73 Thu Dec 13 22:08:25 CET 2018
ao=5d6s6p
lev= -9.1503016 -10.5247435 -0.9450823
exp= 1.7483083 1.6551025 1.0233550
GAM= 0.1715396
KQAT2= 0.0625598
KCNS= 1.0205952
KCNP= -0.2748425
KCND= -0.3320988
REPA= 0.9915500
REPB= 46.6524574
POLYS= -22.3008469
POLYP= 29.8354016
POLYD= -29.6033096
KQS= -1.8120352
KQP= 1.5015902
KQD= -0.0324750
XI= 1.0422031
KAPPA= -0.0333583
ALPG= 1.3567622
$end
$Z=74 Thu Dec 13 19:07:31 CET 2018
ao=5d6s6p
lev= -9.6425716 -8.4038882 -0.4830525
exp= 2.0080568 2.1084082 1.7641136
GAM= 0.1803633
KQAT2= -0.1822002
KCNS= 2.9046502
KCNP= 0.0361699
KCND= -0.1600400
REPA= 0.9875716
REPB= 53.4995959
POLYS= 0.9644129
POLYP= 45.9433028
POLYD= -24.8055364
KQS= -1.5162303
KQP= -0.5627344
KQD= -0.0063703
XI= 0.7633168
KAPPA= -0.0154963
ALPG= 1.8966648
$end
$Z=75 Thu Dec 13 13:18:42 CET 2018
ao=5d6s6p
lev= -10.2383908 -4.9432345 -1.3549000
exp= 2.3094018 1.9812974 1.7312087
GAM= 0.3631824
KQAT2= -0.0546542
KCNS= 1.1515463
KCNP= -0.0359938
KCND= -0.3512912
REPA= 1.1535600
REPB= 73.8197012
POLYS= 30.3500314
POLYP= 38.2110386
POLYD= -28.0450462
KQS= -0.9565221
KQP= -0.4840866
KQD= -0.7237461
XI= 0.6019707
KAPPA= -0.0121092
ALPG= 0.8253100
$end
$Z=76 Thu Dec 13 06:25:56 CET 2018
ao=5d6s6p
lev= -10.0139372 -5.4818074 -2.6947002
exp= 2.3795997 2.2387289 1.9527035
GAM= 0.3010980
KQAT2= 0.3585959
KCNS= 0.3746916
KCNP= -0.0800203
KCND= -0.1295399
REPA= 1.1418384
REPB= 59.6567627
POLYS= 7.6941848
POLYP= 24.2318877
POLYD= -27.3810511
KQS= -1.7054596
KQP= -0.5268454
KQD= -0.2408914
XI= 0.7499393
KAPPA= -0.0744239
ALPG= 0.7412219
$end
$Z=77 Tue Dec 11 20:14:10 CET 2018
ao=5d6s6p
lev= -11.1406750 -7.5775954 -3.8917827
exp= 2.5582242 2.5114785 1.8368726
GAM= 0.1100299
KQAT2= 0.0403085
KCNS= -0.1285049
KCNP= 0.1466161
KCND= 0.0829261
REPA= 1.1434832
REPB= 50.0720023
POLYS= 2.4984632
POLYP= 17.4846076
POLYD= -24.0537099
KQS= -1.8847069
KQP= -0.4888169
KQD= -0.1606430
XI= 0.9511744
KAPPA= 0.0050138
ALPG= 1.0350883
$end
$Z=78 Fri Dec 7 21:40:47 CET 2018
ao=5d6s6p
lev= -11.3162420 -8.8896294 -3.0510272
exp= 2.7100253 2.3315088 1.8622968
GAM= 0.0277514
KQAT2= 0.4160851
KCNS= 0.8632843
KCNP= 1.3889222
KCND= -0.1831911
REPA= 1.1783705
REPB= 49.4064531
POLYS= 3.2909380
POLYP= 15.9983967
POLYD= -23.9093136
KQS= -1.7277302
KQP= -1.6224161
KQD= -0.4690687
XI= 0.9357472
KAPPA= -0.0153757
ALPG= 0.9692278
$end
$Z=79 Mon Dec 3 20:47:02 CET 2018
ao=5d6s6p
lev= -12.1009764 -9.5056791 -2.2886714
exp= 3.1211282 2.3912459 1.9835079
GAM= 0.0554975
KQAT2= 0.5364732
KCNS= -0.3352364
KCNP= -0.6229470
KCND= 0.0937469
REPA= 1.0591477
REPB= 44.5201114
POLYS= -10.1996894
POLYP= 15.4067726
POLYD= -18.2423967
KQS= -3.8714610
KQP= 1.0468549
KQD= 0.5645830
XI= 1.3555382
KAPPA= -0.0029221
ALPG= 1.0048087
$end
$Z=80 Do 6. Dez 12:23:07 CET 2018
ao=6s6p
lev= -12.1695315 -2.6656574
exp= 2.1719281 1.5852934
GAM= 0.7723231
KQAT2= 0.1234906
KCNS= 0.6338123
KCNP= -1.6974940
REPA= 0.9794378
REPB= 39.7677937
POLYS= -20.1460848
POLYP= 21.0720923
KQS= 1.2916136
KQP= -0.3520016
XI= 1.2006726
KAPPA= 0.0239125
ALPG= 2.3138674
$end
$Z=81 Do 13. Dez 16:36:38 CET 2018
ao=6s6p
lev= -20.1640068 -4.9875823
exp= 2.5798532 1.8750064
GAM= 0.1287718
KQAT2= -0.5902190
KCNS= -0.1035095
KCNP= 0.2609025
REPA= 1.2439938
REPB= 58.8051943
POLYS= -24.8474969
POLYP= 5.5030401
KQS= 2.7768835
KQP= -1.1939420
XI= 1.2092025
KAPPA= 0.0183012
ALPG= 2.8055966
$end
$Z=82 Mi 12. Dez 20:07:25 CET 2018
ao=6s6p
lev= -22.0691007 -8.1233437
exp= 2.8266565 1.9846021
GAM= 0.1034598
KQAT2= 0.0731828
KCNS= -1.9929968
KCNP= 1.7808807
REPA= 1.0437958
REPB= 103.0123579
POLYS= -27.4676742
POLYP= -6.2449210
KQS= -0.1764125
KQP= 0.6143160
XI= 1.1736669
KAPPA= -0.0238011
ALPG= 3.0968677
$end
$Z=83 Mi 12. Dez 18:47:26 CET 2018
ao=6s6p
lev= -19.8457402 -8.1841396
exp= 3.0792898 2.1104258
GAM= 0.0114935
KQAT2= 0.1795929
KCNS= -0.2029156
KCNP= 0.4586688
REPA= 1.1391049
REPB= 85.5566053
POLYS= -27.3029972
POLYP= -13.9961471
KQS= 0.1602211
KQP= 0.4235069
XI= 1.1936584
KAPPA= -0.0268025
ALPG= 1.6597596
$end
$Z=84 Mi 12. Dez 10:07:18 CET 2018
ao=6s6p
lev= -22.7267689 -10.6638874
exp= 3.2655001 2.4581428
GAM= 0.0160842
KQAT2= -0.0924653
KCNS= -0.2278953
KCNP= 0.5476139
REPA= 0.9115474
REPB= 70.6036525
POLYS= -19.9670108
POLYP= -18.3613034
KQS= -0.1211837
KQP= 0.6131814
XI= 1.3045488
KAPPA= 0.0136505
ALPG= 3.2191575
$end
$Z=85 Di 11. Dez 23:55:44 CET 2018
ao=6s6p5d
lev= -16.2231111 -10.5823143 -0.4133880
exp= 2.3566483 2.4476546 1.7730006
GAM= 0.3369611
KQAT2= -0.3033414
KCNS= -0.2597842
KCNP= 0.0175268
KCND= 1.8437642
REPA= 0.9157573
REPB= 82.8260761
POLYS= -32.1472952
POLYP= -20.7972951
POLYD= 27.0343912
KQS= -0.7035045
KQP= 0.1660577
KQD= 0.6738787
XI= 1.1964604
KAPPA= -0.0132199
ALPG= 1.5388148
$end
$Z=86 Tue Dec 4 19:30:16 CET 2018
ao=6s6p5d
lev= -13.6425470 -12.1716393 -0.6534981
exp= 3.5667425 2.6010762 1.9384224
GAM= 0.1844179
KQAT2= -0.0946010
KCNS= -0.0041023
KCNP= 0.0074457
KCND= -0.3563225
REPA= 0.8137168
REPB= 68.9676875
POLYS= -33.4702358
POLYP= -18.4455193
POLYD= 22.5007703
KQS= 0.2212935
KQP= 0.0793110
KQD= 1.3169147
XI= 1.2653792
KAPPA= -0.0439890
ALPG= 2.1222013
$end
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